#------------------------------------------------------------------------------
#$Date: 2016-02-14 05:40:26 +0100 (dom 14 de feb de 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/59/7005952.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7005952
loop_
_publ_author_name
'Chu, Qian'
'Liu, Guang-Xiang'
'Huang, Yong-Qing'
'Wang, Xiao-Feng'
'Sun, Wei-Yin'
_publ_section_title
;
 Syntheses, structures, and optical properties of novel zinc(ii)
 complexes with multicarboxylate and N-donor ligands.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4302
_journal_page_last               4311
_journal_paper_doi               10.1039/b707159k
_journal_year                    2007
_chemical_formula_moiety         'C36 H40 N8 O12 Zn2'
_chemical_formula_sum            'C36 H40 N8 O12 Zn2'
_chemical_formula_weight         907.50
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.565(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.8373(14)
_cell_length_b                   24.482(3)
_cell_length_c                   14.6610(18)
_cell_measurement_reflns_used    3256
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.22
_cell_measurement_theta_min      2.18
_cell_volume                     3871.5(8)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Smart Aepex CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0476
_diffrn_reflns_av_sigmaI/netI    0.0642
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            20441
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.06
_exptl_absorpt_coefficient_mu    1.313
_exptl_absorpt_correction_T_max  0.8479
_exptl_absorpt_correction_T_min  0.7435
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.557
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.999
_refine_diff_density_min         -0.465
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     536
_refine_ls_number_reflns         7577
_refine_ls_number_restraints     29
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0880
_refine_ls_R_factor_gt           0.0599
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0717P)²+5.1886P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1391
_refine_ls_wR_factor_ref         0.1533
_reflns_number_gt                5481
_reflns_number_total             7577
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b707159k.txt
_cod_data_source_block           3
_cod_original_cell_volume        3871.4(8)
_cod_original_sg_symbol_Hall     '-p 2yn'
_cod_original_sg_symbol_H-M      'p 21/n'
_cod_database_code               7005952
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zn1 Zn 1.49585(5) 0.18827(2) -0.53111(4) 0.03420(16) Uani 1 1 d . . .
Zn2 Zn 1.27092(5) 0.42519(2) -0.34970(3) 0.03711(17) Uani 1 1 d . . .
O1 O 1.3671(3) 0.43141(13) -0.4559(2) 0.0446(8) Uani 1 1 d . . .
O1W O 0.9035(4) 0.47477(16) -0.9195(3) 0.0707(12) Uani 1 1 d . . .
O2 O 1.4798(4) 0.35697(14) -0.4230(2) 0.0515(9) Uani 1 1 d . . .
O2W O 1.7075(6) 0.2756(4) -0.4056(4) 0.176(4) Uani 1 1 d . . .
O3 O 1.5468(3) 0.25988(13) -0.5757(2) 0.0455(8) Uani 1 1 d . . .
O3W O 1.2047(8) 0.3078(3) -0.7594(6) 0.187(4) Uani 1 1 d . . .
O4 O 1.3490(3) 0.28385(14) -0.5859(3) 0.0496(9) Uani 1 1 d . . .
O5 O 1.6031(3) 0.41085(14) -0.8285(2) 0.0401(8) Uani 1 1 d . . .
O6 O 1.1658(3) 0.34049(13) -1.0150(2) 0.0416(8) Uani 1 1 d . . .
O7 O 1.1165(3) 0.42436(14) -0.9736(2) 0.0465(9) Uani 1 1 d . . .
O8 O 1.3731(3) 0.42216(14) -1.2344(2) 0.0437(8) Uani 1 1 d . . .
O9 O 1.1943(3) 0.41970(15) -1.1730(2) 0.0477(9) Uani 1 1 d . . .
N1 N 1.1732(4) 0.49492(17) -0.3624(3) 0.0426(10) Uani 1 1 d . . .
N2 N 1.0343(4) 0.55658(17) -0.3363(3) 0.0440(10) Uani 1 1 d . . .
N3 N 0.7992(4) 0.42724(16) -0.1886(3) 0.0408(10) Uani 1 1 d . . .
N4 N 0.8851(4) 0.35523(15) -0.1213(3) 0.0367(9) Uani 1 1 d . . .
N5 N 1.4206(4) 0.19513(15) -0.4126(3) 0.0354(9) Uani 1 1 d . A .
N6 N 1.3567(4) 0.22919(17) -0.2877(3) 0.0428(10) Uani 1 1 d . . .
N7 N 1.5773(4) 0.2128(2) 0.0595(3) 0.0573(12) Uani 1 1 d . . .
N8 N 1.6572(4) 0.13823(18) 0.1216(3) 0.0474(11) Uani 1 1 d . . .
C1 C 1.4410(4) 0.39358(18) -0.4751(3) 0.0329(10) Uani 1 1 d . . .
C2 C 1.4814(4) 0.39702(18) -0.5700(3) 0.0289(9) Uani 1 1 d . . .
C3 C 1.4951(4) 0.34999(17) -0.6225(3) 0.0284(9) Uani 1 1 d . . .
C4 C 1.5329(4) 0.35534(18) -0.7094(3) 0.0332(10) Uani 1 1 d . . .
H4A H 1.5420 0.3243 -0.7447 0.040 Uiso 1 1 calc R . .
C5 C 1.5571(4) 0.40567(19) -0.7440(3) 0.0324(10) Uani 1 1 d . . .
C6 C 1.5419(4) 0.45215(19) -0.6935(3) 0.0353(10) Uani 1 1 d . . .
H6A H 1.5566 0.4864 -0.7177 0.042 Uiso 1 1 calc R . .
C7 C 1.5045(4) 0.44731(18) -0.6069(3) 0.0360(11) Uani 1 1 d . . .
H7A H 1.4947 0.4787 -0.5725 0.043 Uiso 1 1 calc R . .
C8 C 1.4600(5) 0.29422(18) -0.5911(3) 0.0360(11) Uani 1 1 d . . .
C9 C 1.5234(4) 0.41383(17) -0.9071(3) 0.0289(9) Uani 1 1 d . . .
C10 C 1.3984(4) 0.40241(17) -0.9109(3) 0.0288(9) Uani 1 1 d . . .
H10A H 1.3627 0.3930 -0.8579 0.035 Uiso 1 1 calc R . .
C11 C 1.3260(4) 0.40507(17) -0.9947(3) 0.0275(9) Uani 1 1 d . . .
C12 C 1.3809(4) 0.41952(17) -1.0732(3) 0.0304(10) Uani 1 1 d . . .
C13 C 1.5064(4) 0.43173(19) -1.0664(3) 0.0371(11) Uani 1 1 d . . .
H13A H 1.5427 0.4416 -1.1189 0.045 Uiso 1 1 calc R . .
C14 C 1.5784(4) 0.42964(19) -0.9842(3) 0.0370(11) Uani 1 1 d . . .
H14A H 1.6621 0.4386 -0.9805 0.044 Uiso 1 1 calc R . .
C15 C 1.1910(4) 0.38985(18) -0.9954(3) 0.0297(10) Uani 1 1 d . . .
C16 C 1.3075(5) 0.42055(18) -1.1655(3) 0.0359(11) Uani 1 1 d . . .
C17 C 1.1002(5) 0.5137(2) -0.3034(3) 0.0425(12) Uani 1 1 d . . .
H17A H 1.0951 0.4990 -0.2454 0.051 Uiso 1 1 calc R . .
C18 C 1.0682(6) 0.5659(2) -0.4227(4) 0.0585(15) Uani 1 1 d . . .
H18A H 1.0373 0.5930 -0.4632 0.070 Uiso 1 1 calc R . .
C19 C 1.1537(5) 0.5287(2) -0.4375(4) 0.0565(15) Uani 1 1 d . . .
H19A H 1.1941 0.5259 -0.4905 0.068 Uiso 1 1 calc R . .
C20 C 0.9323(5) 0.5819(2) -0.2935(4) 0.0498(13) Uani 1 1 d . . .
H20A H 0.9317 0.6208 -0.3058 0.060 Uiso 1 1 calc R . .
H20B H 0.9455 0.5769 -0.2276 0.060 Uiso 1 1 calc R . .
C21 C 0.8082(5) 0.5579(2) -0.3285(4) 0.0489(13) Uani 1 1 d . . .
H21A H 0.7439 0.5773 -0.3001 0.059 Uiso 1 1 calc R . .
H21B H 0.7948 0.5643 -0.3940 0.059 Uiso 1 1 calc R . .
C22 C 0.7943(5) 0.4976(2) -0.3109(3) 0.0466(12) Uani 1 1 d . . .
H22A H 0.7227 0.4840 -0.3489 0.056 Uiso 1 1 calc R . .
H22B H 0.8668 0.4787 -0.3287 0.056 Uiso 1 1 calc R . .
C23 C 0.7794(6) 0.4849(2) -0.2122(3) 0.0500(13) Uani 1 1 d . . .
H23A H 0.8377 0.5068 -0.1735 0.060 Uiso 1 1 calc R . .
H23B H 0.6964 0.4952 -0.1993 0.060 Uiso 1 1 calc R . .
C24 C 0.8930(5) 0.4082(2) -0.1326(3) 0.0415(12) Uani 1 1 d . . .
H24A H 0.9565 0.4298 -0.1047 0.050 Uiso 1 1 calc R . .
C25 C 0.7810(5) 0.3394(2) -0.1753(4) 0.0502(13) Uani 1 1 d . . .
H25A H 0.7518 0.3038 -0.1819 0.060 Uiso 1 1 calc R . .
C26 C 0.7274(5) 0.3835(2) -0.2171(4) 0.0551(14) Uani 1 1 d . . .
H26A H 0.6558 0.3841 -0.2575 0.066 Uiso 1 1 calc R . .
C27 C 1.4139(5) 0.2388(2) -0.3621(3) 0.0427(12) Uani 1 1 d . A .
H27A H 1.4455 0.2726 -0.3766 0.051 Uiso 1 1 calc R . .
C28 C 1.3248(5) 0.1754(2) -0.2899(4) 0.0502(13) Uani 1 1 d . A .
H28A H 1.2840 0.1565 -0.2467 0.060 Uiso 1 1 calc R . .
C29 C 1.3642(5) 0.1551(2) -0.3670(4) 0.0473(13) Uani 1 1 d . . .
H29A H 1.3544 0.1190 -0.3864 0.057 Uiso 1 1 calc R A .
C30 C 1.3253(7) 0.2693(3) -0.2185(4) 0.078(2) Uani 0.82(8) 1 d PDU A 1
H30A H 1.2992 0.3029 -0.2497 0.094 Uiso 0.82(8) 1 calc PR A 1
H30B H 1.2553 0.2555 -0.1890 0.094 Uiso 0.82(8) 1 calc PR A 1
C30' C 1.3253(7) 0.2693(3) -0.2185(4) 0.078(2) Uani 0.18(8) 1 d P A 2
H30C H 1.2397 0.2793 -0.2364 0.094 Uiso 0.18(8) 1 calc PR A 2
H30D H 1.3741 0.3015 -0.2295 0.094 Uiso 0.18(8) 1 calc PR A 2
C31 C 1.4252(11) 0.2820(4) -0.1480(7) 0.104(5) Uani 0.830(17) 1 d PDU A 1
H31A H 1.4961 0.2947 -0.1776 0.125 Uiso 0.830(17) 1 calc PR A 1
H31B H 1.3986 0.3119 -0.1110 0.125 Uiso 0.830(17) 1 calc PR A 1
C31' C 1.335(3) 0.2631(19) -0.1111(15) 0.146(18) Uani 0.170(17) 1 d PDU A 2
H31C H 1.3272 0.2981 -0.0812 0.175 Uiso 0.170(17) 1 calc PR A 2
H31D H 1.2718 0.2385 -0.0922 0.175 Uiso 0.170(17) 1 calc PR A 2
C32 C 1.4624(11) 0.2396(4) -0.0911(6) 0.123(4) Uani 0.50(12) 1 d PDU A 1
H32A H 1.5034 0.2123 -0.1254 0.147 Uiso 0.50(12) 1 calc PR A 1
H32B H 1.3902 0.2228 -0.0687 0.147 Uiso 0.50(12) 1 calc PR A 1
C32' C 1.4624(11) 0.2396(4) -0.0911(6) 0.123(4) Uani 0.50(12) 1 d P A 2
H32C H 1.5050 0.2452 -0.1455 0.147 Uiso 0.50(12) 1 calc PR A 2
H32D H 1.4525 0.2005 -0.0846 0.147 Uiso 0.50(12) 1 calc PR A 2
C33 C 1.5580(7) 0.2599(3) -0.0030(5) 0.090(2) Uani 0.50 1 d PD A 1
H33A H 1.6363 0.2716 -0.0235 0.108 Uiso 0.50 1 calc PR A 1
H33B H 1.5224 0.2903 0.0280 0.108 Uiso 0.50 1 calc PR A 1
C33' C 1.5580(7) 0.2599(3) -0.0030(5) 0.090(2) Uani 0.50 1 d P A 2
H33C H 1.6363 0.2716 -0.0235 0.108 Uiso 0.50 1 calc PR A 2
H33D H 1.5224 0.2903 0.0280 0.108 Uiso 0.50 1 calc PR A 2
C34 C 1.6671(5) 0.1755(2) 0.0589(3) 0.0451(12) Uani 1 1 d . A .
H34A H 1.7287 0.1759 0.0190 0.054 Uiso 1 1 calc R . .
C35 C 1.5548(6) 0.1524(3) 0.1640(5) 0.075(2) Uani 1 1 d . A .
H35A H 1.5241 0.1332 0.2117 0.090 Uiso 1 1 calc R . .
C36 C 1.5061(6) 0.1977(3) 0.1269(5) 0.082(2) Uani 1 1 d . A .
H36A H 1.4363 0.2158 0.1436 0.098 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O6 Zn1 O3 93.98(14) 4_666 . ?
O6 Zn1 N5 112.50(15) 4_666 . ?
O3 Zn1 N5 111.43(15) . . ?
O6 Zn1 N4 112.53(15) 4_666 4_665 ?
O3 Zn1 N4 115.06(15) . 4_665 ?
N5 Zn1 N4 110.47(16) . 4_665 ?
O8 Zn2 O1 113.21(15) 1_556 . ?
O8 Zn2 N8 116.32(16) 1_556 4_565 ?
O1 Zn2 N8 104.91(16) . 4_565 ?
O8 Zn2 N1 111.51(15) 1_556 . ?
O1 Zn2 N1 100.14(15) . . ?
N8 Zn2 N1 109.37(18) 4_565 . ?
C1 O1 Zn2 120.8(3) . . ?
C8 O3 Zn1 115.0(3) . . ?
C9 O5 C5 120.2(3) . . ?
C15 O6 Zn1 123.3(3) . 4_565 ?
C16 O8 Zn2 111.9(3) . 1_554 ?
C17 N1 C19 105.2(4) . . ?
C17 N1 Zn2 125.7(3) . . ?
C19 N1 Zn2 128.6(4) . . ?
C17 N2 C18 106.5(4) . . ?
C17 N2 C20 125.4(4) . . ?
C18 N2 C20 127.4(5) . . ?
C24 N3 C26 107.1(4) . . ?
C24 N3 C23 124.8(4) . . ?
C26 N3 C23 128.1(5) . . ?
C24 N4 C25 105.5(4) . . ?
C24 N4 Zn1 124.5(3) . 4_566 ?
C25 N4 Zn1 129.6(3) . 4_566 ?
C27 N5 C29 104.9(4) . . ?
C27 N5 Zn1 127.8(3) . . ?
C29 N5 Zn1 127.4(3) . . ?
C27 N6 C28 106.8(4) . . ?
C27 N6 C30 127.2(5) . . ?
C28 N6 C30 125.9(5) . . ?
C34 N7 C36 106.5(5) . . ?
C34 N7 C33 126.2(5) . . ?
C36 N7 C33 127.3(5) . . ?
C34 N8 C35 105.5(5) . . ?
C34 N8 Zn2 126.8(4) . 4_666 ?
C35 N8 Zn2 127.7(4) . 4_666 ?
O2 C1 O1 125.4(4) . . ?
O2 C1 C2 120.3(4) . . ?
O1 C1 C2 114.2(4) . . ?
C7 C2 C3 119.0(4) . . ?
C7 C2 C1 119.7(4) . . ?
C3 C2 C1 121.3(4) . . ?
C4 C3 C2 119.1(4) . . ?
C4 C3 C8 118.4(4) . . ?
C2 C3 C8 122.3(4) . . ?
C5 C4 C3 120.8(4) . . ?
C5 C4 H4A 119.6 . . ?
C3 C4 H4A 119.6 . . ?
C4 C5 C6 120.6(4) . . ?
C4 C5 O5 120.9(4) . . ?
C6 C5 O5 118.5(4) . . ?
C7 C6 C5 119.1(4) . . ?
C7 C6 H6A 120.4 . . ?
C5 C6 H6A 120.4 . . ?
C6 C7 C2 121.4(4) . . ?
C6 C7 H7A 119.3 . . ?
C2 C7 H7A 119.3 . . ?
O4 C8 O3 124.2(4) . . ?
O4 C8 C3 118.8(4) . . ?
O3 C8 C3 116.9(4) . . ?
O5 C9 C10 123.9(4) . . ?
O5 C9 C14 114.6(4) . . ?
C10 C9 C14 121.5(4) . . ?
C9 C10 C11 119.6(4) . . ?
C9 C10 H10A 120.2 . . ?
C11 C10 H10A 120.2 . . ?
C12 C11 C10 119.4(4) . . ?
C12 C11 C15 123.3(4) . . ?
C10 C11 C15 117.2(4) . . ?
C13 C12 C11 119.3(4) . . ?
C13 C12 C16 119.4(4) . . ?
C11 C12 C16 121.2(4) . . ?
C14 C13 C12 121.7(4) . . ?
C14 C13 H13A 119.1 . . ?
C12 C13 H13A 119.1 . . ?
C13 C14 C9 118.4(4) . . ?
C13 C14 H14A 120.8 . . ?
C9 C14 H14A 120.8 . . ?
O7 C15 O6 125.6(4) . . ?
O7 C15 C11 119.2(4) . . ?
O6 C15 C11 115.1(4) . . ?
O9 C16 O8 123.8(4) . . ?
O9 C16 C12 121.3(4) . . ?
O8 C16 C12 114.9(4) . . ?
N1 C17 N2 111.9(4) . . ?
N1 C17 H17A 124.1 . . ?
N2 C17 H17A 124.1 . . ?
C19 C18 N2 106.8(5) . . ?
C19 C18 H18A 126.6 . . ?
N2 C18 H18A 126.6 . . ?
C18 C19 N1 109.6(5) . . ?
C18 C19 H19A 125.2 . . ?
N1 C19 H19A 125.2 . . ?
N2 C20 C21 112.0(4) . . ?
N2 C20 H20A 109.2 . . ?
C21 C20 H20A 109.2 . . ?
N2 C20 H20B 109.2 . . ?
C21 C20 H20B 109.2 . . ?
H20A C20 H20B 107.9 . . ?
C22 C21 C20 115.0(4) . . ?
C22 C21 H21A 108.5 . . ?
C20 C21 H21A 108.5 . . ?
C22 C21 H21B 108.5 . . ?
C20 C21 H21B 108.5 . . ?
H21A C21 H21B 107.5 . . ?
C23 C22 C21 112.9(4) . . ?
C23 C22 H22A 109.0 . . ?
C21 C22 H22A 109.0 . . ?
C23 C22 H22B 109.0 . . ?
C21 C22 H22B 109.0 . . ?
H22A C22 H22B 107.8 . . ?
N3 C23 C22 113.7(4) . . ?
N3 C23 H23A 108.8 . . ?
C22 C23 H23A 108.8 . . ?
N3 C23 H23B 108.8 . . ?
C22 C23 H23B 108.8 . . ?
H23A C23 H23B 107.7 . . ?
N4 C24 N3 111.7(4) . . ?
N4 C24 H24A 124.1 . . ?
N3 C24 H24A 124.1 . . ?
C26 C25 N4 109.3(5) . . ?
C26 C25 H25A 125.3 . . ?
N4 C25 H25A 125.3 . . ?
C25 C26 N3 106.4(5) . . ?
C25 C26 H26A 126.8 . . ?
N3 C26 H26A 126.8 . . ?
N5 C27 N6 112.2(4) . . ?
N5 C27 H27A 123.9 . . ?
N6 C27 H27A 123.9 . . ?
C29 C28 N6 106.2(5) . . ?
C29 C28 H28A 126.9 . . ?
N6 C28 H28A 126.9 . . ?
C28 C29 N5 109.9(5) . . ?
C28 C29 H29A 125.0 . . ?
N5 C29 H29A 125.0 . . ?
C31 C30 N6 115.2(7) . . ?
C31 C30 H30A 108.5 . . ?
N6 C30 H30A 108.5 . . ?
C31 C30 H30B 108.5 . . ?
N6 C30 H30B 108.5 . . ?
H30A C30 H30B 107.5 . . ?
C32 C31 C30 115.2(10) . . ?
C32 C31 H31A 108.5 . . ?
C30 C31 H31A 108.5 . . ?
C32 C31 H31B 108.5 . . ?
C30 C31 H31B 108.5 . . ?
H31A C31 H31B 107.5 . . ?
H31C C31' H31D 109.3 . . ?
C31 C32 C33 111.9(8) . . ?
C31 C32 H32A 109.2 . . ?
C33 C32 H32A 109.2 . . ?
C31 C32 H32B 109.2 . . ?
C33 C32 H32B 109.2 . . ?
H32A C32 H32B 107.9 . . ?
N7 C33 C32 106.8(6) . . ?
N7 C33 H33A 110.4 . . ?
C32 C33 H33A 110.4 . . ?
N7 C33 H33B 110.4 . . ?
C32 C33 H33B 110.4 . . ?
H33A C33 H33B 108.6 . . ?
N8 C34 N7 111.4(5) . . ?
N8 C34 H34A 124.3 . . ?
N7 C34 H34A 124.3 . . ?
C36 C35 N8 109.6(6) . . ?
C36 C35 H35A 125.2 . . ?
N8 C35 H35A 125.2 . . ?
C35 C36 N7 107.1(5) . . ?
C35 C36 H36A 126.4 . . ?
N7 C36 H36A 126.4 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Zn1 O6 1.965(3) 4_666 ?
Zn1 O3 1.969(3) . ?
Zn1 N5 1.996(4) . ?
Zn1 N4 2.004(4) 4_665 ?
Zn2 O8 1.931(3) 1_556 ?
Zn2 O1 1.961(3) . ?
Zn2 N8 2.001(4) 4_565 ?
Zn2 N1 2.008(4) . ?
O1 C1 1.274(5) . ?
O2 C1 1.225(5) . ?
O3 C8 1.265(5) . ?
O4 C8 1.238(6) . ?
O5 C9 1.373(5) . ?
O5 C5 1.385(5) . ?
O6 C15 1.266(5) . ?
O6 Zn1 1.965(3) 4_565 ?
O7 C15 1.231(5) . ?
O8 C16 1.291(5) . ?
O8 Zn2 1.931(3) 1_554 ?
O9 C16 1.221(6) . ?
N1 C17 1.312(6) . ?
N1 C19 1.376(6) . ?
N2 C17 1.333(6) . ?
N2 C18 1.372(7) . ?
N2 C20 1.462(6) . ?
N3 C24 1.328(6) . ?
N3 C26 1.364(7) . ?
N3 C23 1.463(6) . ?
N4 C24 1.311(6) . ?
N4 C25 1.370(6) . ?
N4 Zn1 2.004(4) 4_566 ?
N5 C27 1.306(6) . ?
N5 C29 1.365(6) . ?
N6 C27 1.326(6) . ?
N6 C28 1.361(6) . ?
N6 C30 1.476(7) . ?
N7 C34 1.334(6) . ?
N7 C36 1.363(8) . ?
N7 C33 1.476(8) . ?
N8 C34 1.306(6) . ?
N8 C35 1.370(7) . ?
N8 Zn2 2.001(4) 4_666 ?
C1 C2 1.501(6) . ?
C2 C7 1.378(6) . ?
C2 C3 1.401(6) . ?
C3 C4 1.381(6) . ?
C3 C8 1.502(6) . ?
C4 C5 1.368(6) . ?
C4 H4A 0.9300 . ?
C5 C6 1.376(6) . ?
C6 C7 1.375(6) . ?
C6 H6A 0.9300 . ?
C7 H7A 0.9300 . ?
C9 C10 1.379(6) . ?
C9 C14 1.384(6) . ?
C10 C11 1.394(6) . ?
C10 H10A 0.9300 . ?
C11 C12 1.392(6) . ?
C11 C15 1.509(6) . ?
C12 C13 1.387(6) . ?
C12 C16 1.502(6) . ?
C13 C14 1.371(6) . ?
C13 H13A 0.9300 . ?
C14 H14A 0.9300 . ?
C17 H17A 0.9300 . ?
C18 C19 1.334(8) . ?
C18 H18A 0.9300 . ?
C19 H19A 0.9300 . ?
C20 C21 1.510(7) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.509(7) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.504(7) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C24 H24A 0.9300 . ?
C25 C26 1.346(7) . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
C27 H27A 0.9300 . ?
C28 C29 1.341(7) . ?
C28 H28A 0.9300 . ?
C29 H29A 0.9300 . ?
C30 C31 1.457(10) . ?
C30 H30A 0.9700 . ?
C30 H30B 0.9700 . ?
C31 C32 1.368(11) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C31' H31C 0.9700 . ?
C31' H31D 0.9700 . ?
C32 C33 1.652(10) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C34 H34A 0.9300 . ?
C35 C36 1.322(9) . ?
C35 H35A 0.9300 . ?
C36 H36A 0.9300 . ?
